Author:
Burla Maria Cristina,Carrozzini Benedetta,Cascarano Giovanni Luca,Giacovazzo Carmelo,Polidori Giampiero
Abstract
Crystal structure solution inP1 may be particularly suitable for complex crystal structures crystallizing in other space groups. However, additional efforts and human intervention are often necessary to locate correctly the structural model so obtained with respect to an allowed origin of the actual space group. An automatic procedure is described which is able to perform such a task, allowing the routine passage to the correct space group and the subsequent structure refinement. Some tests are presented proving the effectiveness of the procedure.
Publisher
International Union of Crystallography (IUCr)
Subject
General Biochemistry, Genetics and Molecular Biology
Cited by
31 articles.
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